In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:0/23:0)
Systematic Name
1-eicosyl-2-tricosanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AR3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1110.651384
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
WGJBNSMJURNQAL-DHANSSARSA-N
InChi (Click to copy)
InChI=1S/C52H105O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-46(53)67-45(43-65-42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2)44-66-73(63,64)70-50-47(54)48(55)51(68-71(57,58)59)52(49(50)56)69-72(60,61)62/h45,47-52,54-56H,3-44H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/t45-,47?,48?,49?,50+,51?,52+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCC